CAS 1205020-79-6 2,2,3,4,4,4-Hexafluorobutyl nonafluorobutane-1-sulfonate (HCID 86638305)

기본 정보

CAS: 1205020-79-6
표준 SMILES: O=S(=O)(OCC(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: DUNFVEYOBISODU-UHFFFAOYSA-N
분자식: C8H3F15O3S
평균 분자량: 464.15 g/mol
단동위원소 질량: 463.95633826

이름 및 식별자

우선 이름: 2,2,3,4,4,4-Hexafluorobutyl nonafluorobutane-1-sulfonate
IUPAC: 2,2,3,4,4,4-hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
영어명: 2,2,3,4,4,4-Hexafluorobutyl nonafluorobutanesulfonate
분자식: C8H3F15O3S
분자량: 464.15

이름 및 동의어

1205020-79-62,2,3,4,4,4-Hexafluorobutyl nonafluorobutane-1-sulfonateDTXSID10895924RefChem:242752DTXCID2013254192,2,3,4,4,4-Hexafluorobutyl1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonateSCHEMBL1551405NS001093712,2,3,4,4,4-hexafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate2,2,3,4,4,4-Hexafluorobutyl nonafluorobutanesulfonate2,2,3,4,4,4-hexafluorobutyl nonafluorobutyl sulfonate1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, 2,2,3,4,4,4-hexafluorobutyl ester

데이터베이스 식별자

CAS: 1205020-79-6
PubChem CID: 86638305
DTXSID: DTXSID10895924

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 18
회전 가능 결합 수: 7
무거운 원자 수: 27
형식 전하: 0
복잡도: 625

실험 및 물리화학적 성질

PFAS · 2건

PFAS -> OECD Category

PFAS -> Other/unspecified

물리화학적 성질

끓는 점: 216.692 · 216.692±40.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.717 · 1.717±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
EPA: 2 · 2,2,3,4,4,4-Hexafluorobutyl nonafluorobutane-1-sulfonate (1205020-79-6)